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At the 57th Experimental Nuclear Magnetic Resonance Conference (enc-conference.org), Bruker is showcasing several innovative drug discovery, drug development and process control solutions for small molecule NMR characterization in the chemical and pharmaceutical industries.

AssureNMR with CRAFT: Now available with Complete Reduction to Amplitude Frequency Table (CRAFT) and tools for biologics analysis AssureNMR™ 2.1 reveals small structural and compositional changes in complex materials such as biofluids, culture media and biologics, important for product quality control. CRAFT delivers matching and quantification of key metabolites, based on targeted fingerprinting. Metabolite identification is enhanced in AssureNMR by the ability to incorporate the large, public Human Metabolome Data Base (HMDB) and DrugBank database, each containing over 900 NMR spectra of metabolites and drug compounds, respectively. Anthony Ribeiro, Ph.D., of Duke University Medical Center said: “These features represent major enhancements to the AssureNMR software package for the detailed analysis of biofluid systems.”

Experiment Selector: The latest release of TopSpin® software, TS3.5pl6, features a new, user-friendly GUI which provides easy access to vast experiment libraries including standard Bruker pulse sequences and user generated experiment libraries for both industrial and academic users. The GUI enables users to build and organize their own customized experiment libraries via simple drag and drop, provides multiple options for experiment setup and optimization, enables script based parameter adjustment, and makes the setup of sophisticated experiments simple and efficient. More …

Free TopSpin Processing: In order to provide students, instructors and researchers with unlimited access to the best tools for off-line NMR processing, Bruker is making their market leading NMR processing software TopSpin available free of charge for all academic users. In addition to Bruker NMR data, the software is able to process data acquired on Agilent, Varian and JEOL systems, and it can read data provided in JCAMP format.

SmartDriveNMR: Bruker is setting new standards for NMR solutions with its ‘Intelligent NMR Spectrometer Initiative’. The goal of this project is to incorporate automatic, intelligent decision making into the spectrometer. SmartDriveNMR the further step in this direction decides on-the-fly for an optimized set of NMR experiments delivering the most information with the best quality within a user defined timeframe for a given spectroscopic problem. SmartDriveNMR saves spectrometer time by automatically running only these experiments that add the most value to solve a given problem. SmartDriveNMR is seamlessly integrated into the industry-standard routine NMR acquisition software IconNMR to provide solutions for structure consistency analysis, which are common in most NMR service labs.

Lab2NMR: This adaption of the automation and scheduling system lab2labTM (ttplabtech.com) allows NMR samples in modern, larger analytical service organizations to be transported to the instrument via the lab2lab pipe system. Samples are submitted for analysis directly from the chemist’s bench in standard vials. The lab2lab system transports these vials to remote analytical NMR instrument via a pipe system. Once at the instrument, lab2NMR accepts the sample, prepares it for NMR measurement and schedules the experiment. This system improves the efficiency and the load-factor, thus enhancing NMR productivity.

Dr. Harald Schröder at Novartis Basel stated: „With the latest addition of Lab2NMR, our well established lab2lab system for rapid, flexible and hassle-free open access routine analytics became even more productive. Now, chemists can send off samples for NMR analysis as easily and with the same interface as they are used to from LC-MS. The resulting spectra are in their inbox much faster than previously, when the chemist had to find the closest available open access system.”

New Automation Tools: The new SampleCase-heated is designed for work in polymer research. It is capable of keeping up to 24 samples at temperatures of up to 125°C, keeping polymers liquid and ready for measurement. Bruker also announces the next-generation cooling rack for the SampleJet autosampler. This new module allows for individual cooling and temperature regulation of each of the five sample racks. With the additional 96 spinner-less open access sample positions, the SampleJet is the best choice for metabolomics and bio-screening applications.

Bruker Fusion-SV 1.1: The new edition of the Bruker Fusion-SV 1.1 automated structure verification solution for small molecules in pharma and chemistry research integrates high-resolution, accurate mass ESI-QTOF mass spectrometry for automated chemical formula generation with NMR spectroscopy. The updated Bruker Fusion-SV 1.1 solution now includes additional 2D NMR methods for even higher confidence in rapid, automated structure verification. Designed for the workflow of medicinal and synthetic chemists in pharma, chemical industry or in academia, Bruker Fusion-SV 1.1 guides chemists to meaningful results with minimal interactions and without the need for expert knowledge.

InsightMR: Designed for the optimization of chemical reactions under process conditions, the new InsightMR™ solution uses on-line NMR monitoring to enhance process understanding. InsightMR has a new flow unit with temperature-controlled transfer lines to enable fast and continuous transfer of reaction mixtures from a vessel to the spectrometer. InsightMR software features a user-friendly interface to allow both expert and non-expert NMR users to set up experiments in deuterated and non-deuterated solvents and optimize acquisition parameters on-the-fly, based on real-time kinetic data.

Fourier 300 HD: In 2010, Bruker introduced its successful entry-level NMR system, the Fourier 300. Based on the positive customer response, we now introduce an improved version, the Fourier 300 HD. Derived from our renowned Avance III HD electronics, the Fourier 300 HD provides an entry level, two-channel system for proton and carbon operation for budget-conscious customers. The system is equal in specifications to our Avance series and is operated by TopSpin software. With its small footprint and freely available TopSpin Processing software (limited to academic users), the Fourier 300 HD is an excellent system for education and smaller routine labs.

Werner E. Maas, Ph.D., President of the Bruker BioSpin MRS Division, commented: “In addition to developing high field magnets, such as our new Aeon 1 GHz magnet, and new, highly sensitive X-nucleus direct detection CryoProbes, we also focus our R&D on tools that make our customers successful by enhancing their productivity or expanding their range of NMR applications. In addition to introductions for sample handling and data analysis, we started the Intelligent NMR Spectrometer Initiative, a multi-year program to enhance productivity and ease-of-use of our spectrometers. SmartDriveNMR and lab2NMR are just two of the early results of this program.”

About Bruker Corporation
For more than 50 years, Bruker (bruker.com) has enabled scientists to make breakthrough discoveries and develop new applications that improve the quality of human life. Bruker’s high-performance scientific research instruments and high-value analytical solutions enable scientists to explore life and materials at molecular, cellular and microscopic levels.

In close cooperation with our customers, Bruker is enabling innovation, productivity and customer success in life science molecular research, in applied and pharma applications, in microscopy, nano-analysis and industrial applications, as well as in cell biology, preclinical imaging, clinical research, microbiology and molecular diagnostics.

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